3-methylbutyl (2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: 3-methylbutyl (2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: isopentyl (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2S)-2-(6-acetyl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propionic acid isoamyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(C)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCCC(C)C)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)(C)C

InChI

InChI=1S/C20H27NO5/c1-12(2)9-10-25-18(23)13(3)21-16-11-15(14(4)22)7-8-17(16)26-20(5,6)19(21)24/h7-8,11-13H,9-10H2,1-6H3/t13-/m0/s1